UCSF

ZINC62977258

Substance Information

In ZINC since Heavy atoms Benign functionality
May 21st, 2011 31 No

Download: MOL2 SDF SMILES Flexibase

Annotations

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Vendors

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 5.20 11.7 -49.07 1 5 0 47 421.561 6
Mid Mid (pH 6-8) 5.20 14.07 -105.91 2 5 0 48 422.569 6
Mid Mid (pH 6-8) 5.20 11.42 -8.44 0 5 0 46 420.553 6

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Analogs ( Draw Identity 99% 90% 80% 70% )

No pre-computed analogs available. Try a structural similarity search.